2-ethylsulfanylethyl (4S,7R)-2-methyl-4-naphthalen-1-yl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-4-naphthalen-1-yl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-4-(1-naphthyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-4-(1-naphthalenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4-(1-naphthyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H31NO3S MolecularWeight: 497.64774

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=CC=CC=C43)C(=O)CC(C2)C5=CC=CC=C5)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC4=CC=CC=C43)C(=O)C[C@@H](C2)C5=CC=CC=C5)C

InChI

InChI=1S/C31H31NO3S/c1-3-36-17-16-35-31(34)28-20(2)32-26-18-23(21-10-5-4-6-11-21)19-27(33)30(26)29(28)25-15-9-13-22-12-7-8-14-24(22)25/h4-15,23,29,32H,3,16-19H2,1-2H3/t23-,29-/m1/s1